4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile

C10H6F2N4 — CID 81293664

IUPAC4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(-n2ccc(N)n2)c(F)c1
InChIInChI=1S/C10H6F2N4/c11-7-3-6(5-13)4-8(12)10(7)16-2-1-9(14)15-16/h1-4H,(H2,14,15)
InChIKeyUECFFWHHJRTCRW-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.60
Rot. Bonds1

About 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile

4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile (PubChem CID 81293664) has the molecular formula C10H6F2N4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile
PubChem CID81293664
Molecular FormulaC10H6F2N4
Molecular Weight220.18 g/mol
Exact Mass220.06
IUPAC Name4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(-n2ccc(N)n2)c(F)c1
InChIInChI=1S/C10H6F2N4/c11-7-3-6(5-13)4-8(12)10(7)16-2-1-9(14)15-16/h1-4H,(H2,14,15)
InChIKeyUECFFWHHJRTCRW-UHFFFAOYSA-N
XLogP1.60
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile?
The IUPAC name of 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile (CID 81293664) is 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile?
The canonical SMILES for 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile is N#Cc1cc(F)c(-n2ccc(N)n2)c(F)c1.
What is the InChIKey of 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile?
The InChIKey is UECFFWHHJRTCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4/c11-7-3-6(5-13)4-8(12)10(7)16-2-1-9(14)15-16/h1-4H,(H2,14,15).
What are the key properties of 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile?
4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile has a molecular weight of 220.18 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopyrazol-1-yl)-3,5-difluorobenzonitrile is sourced from PubChem (CID 81293664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).